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About This Item
Empirical Formula (Hill Notation):
C6H7N5
CAS Number:
Molecular Weight:
149.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
97%
mp
300-305 °C (lit.)
SMILES string
Cn1cnc2c(N)ncnc12
InChI
1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
InChI key
WRXCXOUDSPTXNX-UHFFFAOYSA-N
Gene Information
rat ... Adora1(29290) , Adora2a(25369)
General description
9-Methyladenine is a derivative of adenine. It belongs to the monoclinic crystal system and P21/c space group.
Application
9-Methyladenine may be used in the preparation of N6-benzoyl-9-methyladenine.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Gydo C P van Zundert et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 12(10), 1921-1927 (2011-05-28)
IR spectroscopy is employed to study isolated adenine and its derivative 9-methyladenine in both their neutral and protonated forms. The IR spectra of neutral adenine and 9-methyladenine are measured in a molecular beam expansion via IR-UV ion-dip spectroscopy in the
Bruno Longato et al.
Inorganic chemistry, 45(4), 1805-1814 (2006-02-14)
The hydroxo complex cis-[L2Pt(mu-OH)]2(NO3)2, (L = PMePh2, 1a), in CH3CN solution, deprotonates the NH2 group of 9-methyladenine (9-MeAd) to give the cyclic trinuclear species cis-[L2Pt[9-MeAd(-H)]]3(NO3)3, (L = PMePh2, 2a), in which the nucleobase binds the metal centers through the N(1)
The neutron crystal structure of 9-methyladenine at 126 K.
McMullan RK, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 36(6), 1424-1430 (1980)
Mahmoud Mirzaei et al.
The journal of physical chemistry. A, 110(14), 4833-4838 (2006-04-08)
Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory. The calculations were carried out at the B3LYP
Szymon Smolarek et al.
Physical chemistry chemical physics : PCCP, 12(48), 15600-15606 (2010-08-03)
High-resolution absorption spectra of adenine, 9-methyladenine and 2-aminopurine in helium nanodroplets have been recorded. In contrast to molecular beam experiments, large variations in linewidths are observed for adenine and 9-methyladenine. At the same time, the spectrum of 2-aminopurine remains sharp
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